CHEBI:120970 - 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester
ChEBI ID CHEBI:120970
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H17FN2O5
Net Charge 0
Average Mass 384.359
Monoisotopic Mass 384.11215
InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,18H,9-10H2,1H3,(H2,22,23,25)
InChIKey QCGHTRAZOATGMB-UHFFFAOYSA-N
SMILES CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OCC3=CC4=C(C=C3)OCO4
ChEBI Ontology
Outgoing 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester (CHEBI:120970) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-32413 LINCS
View more database links